Absolute Configuration Determination for Natural Products (I)

	Absolute Configuration Determination for Natural Products (I)
	Shen Lan 1,2; Zhao Sheng-Ding 1; Zhu Hua-Jie 1
通讯作者	Zhu, HJ (reprint author), Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources W China, Organ Synth & Nat Prod Lab, Kunming 650204, Peoples R China
	2011-11-10
发表期刊	CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN	0251-0790
卷号	32 期号:11 页码:2568-2573
摘要	Optical :rotation and (13)C NMR computations for five natural products, vidalenolone(1), 2-(3-di-hydroxy-3 -methylbutyl) benzene-1,4 -diol (2), 5, 6, 7, 7a (S)-tetrahydro-2-hydroxy-1-(p-hydroxyphenyl)-3H-pyrolizin -3-one (3), 3, 4-dihydro-4, 8-dihydroxy-6-methoxy-7-methyl-1 (2H)-naphthalenone (4) and 6-(R)-(4'-oxopentyl)-5,6-dihydro-2H-pyran-2-one(5), were performed at the B3LYP/6-aug-cc-pVDZI/B3LYP/6-31G(d) levels for assigning their absolute configurations. The computational results matched the experimental results well. One compound's 13C NMR chemical shifts were corrected based on the computational (13)C NMR results and earliest reports.
关键词	Natural Product Density Functional Theory Optical Rotation (13)c Nmr Computation Absolute Configuration Determination
学科领域	Chemistry
收录类别	SCI
语种	英语
WOS记录号	WOS:000297231500020
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/5367
专题	植物化学与西部植物资源持续利用国家重点实验室
作者单位	1.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources W China, Organ Synth & Nat Prod Lab, Kunming 650204, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Shen Lan,Zhao Sheng-Ding,Zhu Hua-Jie. Absolute Configuration Determination for Natural Products (I)[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2011,32(11):2568-2573.
APA	Shen Lan,Zhao Sheng-Ding,&Zhu Hua-Jie.(2011).Absolute Configuration Determination for Natural Products (I).CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,32(11),2568-2573.
MLA	Shen Lan,et al."Absolute Configuration Determination for Natural Products (I)".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 32.11(2011):2568-2573.

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